| SpectraBase Compound ID | Dhzgg7XOxAF |
|---|---|
| InChI | InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12?,13-,14+,15+,16+,17+,18?,20-,21+,22+/m0/s1 |
| InChIKey | YPSAOPXJHSESSR-MMMPLLQXSA-N |
| Mol Weight | 391.5 g/mol |
| Molecular Formula | C22H33NO5 |
| Exact Mass | 391.235873 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BwDCtdM29Ax |
|---|---|
| Name | Heteratisine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO5 |
| InChI | InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12?,13-,14+,15+,16+,17+,18?,20-,21+,22+/m0/s1 |
| InChIKey | YPSAOPXJHSESSR-MMMPLLQXSA-N |
| Molecular Weight | 391.508 g/mol |
| SMILES | O[C@@]1([C@@]2(C3[C@@]4(C5[C@]6([C@@]2(CC[C@@](C5)(OC6=O)[H])O)[H])[C@]1([C@@](CN3CC)(C)CC[C@@]4(OC)[H])[H])[H])[H] |
| SPLASH | splash10-08fr-9416000000-2fef39dc4ad4458f439d |
| Source of Spectrum | CD-275-0-0 |
| Wiley ID | 1365374 |